生物电子等排原理在新药设计中的应用

探索生物电子等排原理在新药研究中应用的规律,推动新药研究的进展;通过查阅文献资料,阐述生物电子等排的定义及各类生物电子等排的特点、使用范围、典型事例;表明生物电子等排既有外层电子总数相等的原子或基因的替换,也有在体积、形状、构象、电子分布、脂水分配系数、pKa、化学反应性(包括代谢相似性)和氢键成键能力等重要参数上存在相似性的原子或基团的替换,是对已知药物的结构改造或结构修饰;所产生新化合物优于、近于或拮抗原来药物的作用,具有成功率高、风险小、投资少的特点,在新药研究中占有重要的地位。应用生物电子等排体进行新药设计,尤其适合我国制药工业现有的实际情况。

The Applicationof the Bioisosterism in the New Drug Research

The paper discusses that to discover the rule of bioisosterism is helpful for the new drug research. Through indexing document retrieval.it explains the definition of bioisosterism.the character.the application range of the classic esample of several type bioisosterism,and indicates that there are some atoms or groups that ex-change with each other ,which have the equal outer electron number.or have similarities in some important parame-ters.such as volume,shape,O/Wdistribution rate.chemistry reaction(include metabolism similarity). We can get the new compound through structure modification, which is better or similar or anti the effect of pro-drugs. So.It is a lower difficult and risk.higher successful way,and play an important role in the new drug research, especially its adaptablity for our recent conditions in drug industry.